REMARK  Name = BDB012771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.040  -1.899  -0.188  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.897  -0.837   0.032  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        2.281  -1.085   0.407  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.874   0.300   0.674  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        2.073   1.184  -0.282  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.677   0.581  -0.211  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.466  -3.054  -0.135  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.466  -1.045  -0.865  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -3.395  -2.319  -1.263  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.123  -2.666  -1.010  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -1.822  -3.616  -1.209  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -1.348  -1.657  -0.498  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -2.218  -0.594  -0.363  0.00  0.00    +0.057 A 
BRANCH   8  14
ATOM     14  C   LIG    1       -4.767  -0.298  -0.960  0.00  0.00    +0.062 C 
ATOM     15  C   LIG    1       -4.594   1.072  -1.624  0.00  0.00    +0.016 C 
BRANCH  14  16
ATOM     16  C   LIG    1       -5.423  -0.172   0.427  0.00  0.00    +0.169 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -7.752  -0.281  -0.045  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1       -6.670   0.530   0.396  0.00  0.00    -0.382 OA
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   1  12
BRANCH   4  19
ATOM     19  N   LIG    1        4.302   0.383   0.452  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        4.740  -0.226  -0.228  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        5.032   1.444   0.926  0.00  0.00    +0.216 C 
ATOM     22  O   LIG    1        4.585   2.351   1.612  0.00  0.00    -0.276 OA
BRANCH  21  23
ATOM     23  C   LIG    1        6.453   1.446   0.499  0.00  0.00    +0.075 C 
ATOM     24  C   LIG    1        7.543   1.429   1.546  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        7.332   0.229   0.671  0.00  0.00    +0.013 C 
ENDBRANCH  21  23
ENDBRANCH   4  19
TORSDOF 6